Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 2/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.36 |
| ▸ | HTR5A | P47898 | 2/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | IDH1 | O75874 | 10/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL14253139 | 1.00 | ADRA2A (0.36) | ADRA2AADRA2BADRA2CHTR5AGSK3B | |
| SCHEMBL8451917 | 0.83 | ADRA2A (0.32) | ADRA2AADRA2BADRA2C | |
| SCHEMBL10513642 | 0.72 | KDM4E (0.48) | ADRA2AADRA2BADRA2CGSK3BIDH1 | |
| SCHEMBL13873056 | 0.72 | ADRA2A (0.39) | ADRA2AADRA2BADRA2CGSK3BIDH1 | |
| SCHEMBL29499281 | 0.72 | GSK3B (0.53) | ADRA2AADRA2BADRA2CGSK3BCYP1A2 | |
| SCHEMBL578594 | 0.72 | GSK3B (0.53) | ADRA2AADRA2BADRA2CGSK3BCYP1A2 | |
| Hydrochloric Acid SCHEMBL2347812 | 0.70 | GSK3B (0.51) | ADRA2AADRA2BADRA2CGSK3BCYP1A2 | |
| Bromide SCHEMBL5500334 | 0.70 | GSK3B (0.51) | ADRA2AADRA2BADRA2CGSK3BCYP1A2 | |
| SCHEMBL11812093 | 0.70 | SRC (0.49) | IDH1CYP1A2SMN1; SMN2 | |
| SCHEMBL3135620 | 0.69 | HTR5A (0.52) | HTR5ACYP1A2SMN1; SMN2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7348333-B2 | Cycloalkyl derivatives as inhibitors of bone resorption and vitronectin receptor antagonists | AVENTIS PHARMA S.A. (FR) | 2008-03-25 | — | — | US | disclosed |